Li2V3CoO8

Li2V3CoO8 is a stable, semiconducting layered oxide containing lithium, vanadium, cobalt, and oxygen, primarily studied for battery technology applications.

Crystal structure of Li2V3CoO8 (triclinic, P1 (No. 1))
Ground-state structure · Materials Project
Overview

About Li2V3CoO8

Li2V3CoO8 is a complex layered lithium transition-metal oxide that occupies a stable position on the convex hull. Its semiconducting nature and structural complexity make it a subject of significant interest within materials science, particularly for understanding ion transport and electronic behavior in multi-metal oxide systems.

As a member of the layered transition-metal oxide class, this compound is primarily investigated for its potential role in advanced electrochemical energy storage. Its stability and unique elemental composition allow researchers to explore new pathways for high-performance battery electrode materials.

At a glance

Key Properties

Cross-validated computational properties for Li2V3CoO8, aggregated across 3 databases.

Band Gap

0.54–1.76 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

42
3 databases, 12 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for Li2V3CoO8, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
P1 (No. 1)triclinic0.000.0000-7.9814.04
P213 (No. 198)cubic1.640.0964-7.8853.95
R3 (No. 146)trigonal1.520.0987-7.8833.95
R3 (No. 146)trigonal1.760.1043-7.8773.96
Cc (No. 9)monoclinic1.580.1070-7.8743.97
R3m (No. 160)trigonal0.000.1117-7.8703.96
P2/c (No. 13)monoclinic1.110.1275-7.8544.05
P1 (No. 1)triclinic0.540.1352-7.8463.96
P-1 (No. 2)triclinic0.000.1378-7.8444.03
P1 (No. 1)triclinic0.800.1450-7.8364.07
C2/m (No. 12)monoclinic0.840.1457-7.8364.05
P-1 (No. 2)triclinic0.000.1468-7.8354.04
Uses

Applications

Where Li2V3CoO8 is used.

Battery electrode researchElectrochemical energy storage systemsSolid-state ionics
Reference

Frequently Asked Questions

Common questions about Li2V3CoO8, answered from cross-validated data.

What is Li2V3CoO8?

Li2V3CoO8 is a stable, semiconducting layered oxide containing lithium, vanadium, cobalt, and oxygen, primarily studied for battery technology applications.

More questions
What is Li2V3CoO8 used for?
Li2V3CoO8 is used in battery electrode research, electrochemical energy storage systems, and solid-state ionics.
What is the band gap of Li2V3CoO8?
Li2V3CoO8 has a DFT-computed band gap of 0.54–1.76 eV across 42 reported structures.
Is Li2V3CoO8 a metal, semiconductor, or insulator?
With a band gap up to 1.76 eV it is a semiconductor.
Is Li2V3CoO8 thermodynamically stable?
Yes — Li2V3CoO8 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Li2V3CoO8?
The lowest-energy reported polymorph of Li2V3CoO8 is triclinic symmetry, space group P1 (No. 1).
What is the density of Li2V3CoO8?
The computed density of the ground-state structure of Li2V3CoO8 is 4.04 g/cm³.
How many polymorphs of Li2V3CoO8 are known?
42 structures of Li2V3CoO8 are reported across 3 databases, spanning 12 distinct space groups.
What elements does Li2V3CoO8 contain?
Li2V3CoO8 contains Co, Li, O, and V (4 elements).
Where does the data for Li2V3CoO8 come from?
Li2V3CoO8 data is cross-referenced from materials_project, jarvis, mpaloe.
Comparison

How It Compares

Within the layered lithium transition-metal oxides class.

Within the diverse family of layered lithium transition-metal oxides, Li2V3CoO8 stands out for its specific vanadium-cobalt stoichiometry compared to more traditional cathode materials like LiCoO2 or LiNiO2. While many siblings are optimized for specific capacity or voltage profiles, this compound offers a distinct structural framework that differentiates it from the simpler binary or ternary oxides like LiAlO2 or LiMnO2.

Explore

Related Compounds

Other Layered Lithium Transition-Metal Oxides in the database.

Data sources & attribution
  • materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
  • jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
  • mpaloe — Data from mpaloe.

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